N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine

C18H24FN — CID 43223961

IUPACN-[1-(2-fluorophenyl)ethyl]adamantan-2-amine
SMILESCC(NC1C2CC3CC(C2)CC1C3)c1ccccc1F
InChIInChI=1S/C18H24FN/c1-11(16-4-2-3-5-17(16)19)20-18-14-7-12-6-13(9-14)10-15(18)8-12/h2-5,11-15,18,20H,6-10H2,1H3
InChIKeyQVMIZGGRXGBSDD-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.30
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine

N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine (PubChem CID 43223961) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]adamantan-2-amine
PubChem CID43223961
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC NameN-[1-(2-fluorophenyl)ethyl]adamantan-2-amine
SMILESCC(NC1C2CC3CC(C2)CC1C3)c1ccccc1F
InChIInChI=1S/C18H24FN/c1-11(16-4-2-3-5-17(16)19)20-18-14-7-12-6-13(9-14)10-15(18)8-12/h2-5,11-15,18,20H,6-10H2,1H3
InChIKeyQVMIZGGRXGBSDD-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-adamantylamino)ethyl]phenol
CID 43720436
N-[(1S)-1-phenylethyl]adamantan-2-amine
CID 81350698
N-(1-phenylethyl)adamantan-2-amine
CID 43405877
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-[(1R)-1-pyridin-2-ylethyl]adamantan-2-amine
CID 81402373
N-[1-(2-fluorophenyl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353390
N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448317
N-[1-(2-fluorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223965
3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633776
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 81363736

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine (CID 43223961) is N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine is CC(NC1C2CC3CC(C2)CC1C3)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine?
The InChIKey is QVMIZGGRXGBSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c1-11(16-4-2-3-5-17(16)19)20-18-14-7-12-6-13(9-14)10-15(18)8-12/h2-5,11-15,18,20H,6-10H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine?
N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine has a molecular weight of 273.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]adamantan-2-amine is sourced from PubChem (CID 43223961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).